Project name: SH3_T114L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114L
Energy difference between WT (input) and mutated protein (by FoldX)	0.445832 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.4838
• Maximal score value: 1.5329
• Average score: -0.7994
• Total score value: -47.9621

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1615
97	E	A	-2.3601
98	T	A	-1.2579
99	D	A	-1.3507
100	L	A	0.0000
101	S	A	-1.9127
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2231
110	I	A	0.4898
111	V	A	1.5329
112	N	A	0.2582
113	N	A	-0.9277
114	L	A	-0.0525	mutated: TA114L
115	E	A	-2.1154
116	G	A	-2.2061
117	D	A	-2.4988
118	W	A	-1.1087
119	W	A	-0.3433
120	L	A	0.6668
121	A	A	0.0000
122	H	A	-0.3694
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.5068
130	G	A	0.0000
131	Y	A	0.1826
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2942
135	N	A	-1.2488
136	Y	A	-0.2041
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759